ethyl 6-bromomethyl-1-methyl-2-oxo-4-trifluoromethyl-1,2-dihydropyrimidine-5-carboxylate | 1397258-34-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl 6-bromomethyl-1-methyl-2-oxo-4-trifluoromethyl-1,2-dihydropyrimidine-5-carboxylate
• CAS: 1397258-34-2
• 化学式: C₁₀H₁₀BrF₃N₂O₃
• 分子量: 343.1
• InChiKey: ROYAYJAIBUZHBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.19
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  哌啶 、 ethyl 6-bromomethyl-1-methyl-2-oxo-4-trifluoromethyl-1,2-dihydropyrimidine-5-carboxylate 以 乙醇 为溶剂， 反应 1.0h， 以60%的产率得到ethyl 1-methyl-6-(piperidin-1-yl)methyl-2-oxo-4-trifluoromethyl-1,2-dihydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Heterocyclization of N-(1-chloro-2,2,2-trifluoroethylidene)carbamates with β-enaminoesters—a novel synthetic strategy to functionalized trifluoromethylated pyrimidines

  摘要：

  A novel synthetic strategy to 4-trifluoromethyl substituted 2-oxo-1,2-dihydropyrimidine-5-carboxylates has been developed based on the cyclocondensation of beta-enaminoesters with N-(1-chloro-2,2,2trifluoroethylidene)carbamates. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.099
• 作为产物：
  描述：

  ethyl 1,6-dimethyl-2-oxo-4-trifluoromethyl-1,2-dihydropyrimidine-5-carboxylate 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 4.0h， 以62%的产率得到ethyl 6-bromomethyl-1-methyl-2-oxo-4-trifluoromethyl-1,2-dihydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Heterocyclization of N-(1-chloro-2,2,2-trifluoroethylidene)carbamates with β-enaminoesters—a novel synthetic strategy to functionalized trifluoromethylated pyrimidines

  摘要：

  A novel synthetic strategy to 4-trifluoromethyl substituted 2-oxo-1,2-dihydropyrimidine-5-carboxylates has been developed based on the cyclocondensation of beta-enaminoesters with N-(1-chloro-2,2,2trifluoroethylidene)carbamates. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.099